N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

C31H34N6O4 — CID 77242174

About N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (PubChem CID 77242174) has the molecular formula C31H34N6O4 and a molecular weight of 554.65 g/mol. Its IUPAC name is N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 77242174
• Molecular Formula: C31H34N6O4
• Molecular Weight: 554.65 g/mol
• Exact Mass: 554.26
• IUPAC Name: N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
• SMILES: Cc1noc(C)c1-c1ccc(C(=O)N2CC3CC2CN3C(=O)C(NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)nc1
• InChI: InChI=1S/C31H34N6O4/c1-17-26(18(2)41-35-17)20-10-11-24(32-14-20)29(39)36-15-22-13-21(36)16-37(22)30(40)27(31(3,4)5)34-28(38)25-12-19-8-6-7-9-23(19)33-25/h6-12,14,21-22,27,33H,13,15-16H2,1-5H3,(H,34,38)
• InChIKey: BVHJNFOZDWWGJA-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 124.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.65
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (CID 77242174) is N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is Cc1noc(C)c1-c1ccc(C(=O)N2CC3CC2CN3C(=O)C(NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)nc1.

What is the InChIKey of N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is BVHJNFOZDWWGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O4/c1-17-26(18(2)41-35-17)20-10-11-24(32-14-20)29(39)36-15-22-13-21(36)16-37(22)30(40)27(31(3,4)5)34-28(38)25-12-19-8-6-7-9-23(19)33-25/h6-12,14,21-22,27,33H,13,15-16H2,1-5H3,(H,34,38).

What are the key properties of N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 554.65 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 77242174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).